1-Bromo-3-fluorobenzene - ≥99% , CAS No.1073-06-9

CAS: 1073-06-9 Cat. No.: B109686 Formula: C₆H₄BrF Peso molecolare: 175 Beilstein Registry Number: 1853969 Numero EC: 214-023-0

GRADE & PURITY ≥99%

Synonyms

InChI=1/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4 | 3-Bromfluorbenzen [Czech] | 3-fluoro-1-bromobenzene | Benzene, 1-bromo-3-fluoro- | AS-13586 | AC-9670 | EINECS 214-023-0 | AM61280 | 1-Fluoro-3-bromobenzene | 1-bromo -3-fluoro-benzene | 1-BROMO-3-FLUOROBENZENE |

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

InChI=1/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4 | 3-Bromfluorbenzen [Czech] | 3-fluoro-1-bromobenzene | Benzene, 1-bromo-3-fluoro- | AS-13586 | AC-9670 | EINECS 214-023-0 | AM61280 | 1-Fluoro-3-bromobenzene | 1-bromo -3-fluoro-benzene | 1-BROMO-3-FLUOROBENZENE |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

488181936

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181936

Sorrisi canonici

C1=CC(=CC(=C1)Br)F

IUPAC Name

1-bromo-3-fluorobenzene

InChIKey

QDFKKJYEIFBEFC-UHFFFAOYSA-N

INCHI

1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H

Isomeri SMILES

C1=CC(=CC(=C1)Br)F

WGK Germania

2

RTECS

DA1225000

Numero UN

1993

Gruppo di imballaggio

I

Peso molecolare

175

Beilstein

1853969

Reaxy-Rn

1853969

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853969&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive.
• Indice di rifrazione: 1.526-1.528
• Punto di infiammabilità (°F): 114.8 °F
• Punto di infiammabilità (°C): 38℃
• Punto di ebollizione (°C): 150°C
• Peso molecolare: 175.000 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 173.948 Da
• Monoisotopic Mass: 173.948 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1